SCHEMBL7928679

SCHEMBL7928679

CCCC(C(=O)NN)C(=O)[C@@](Cc1ccccc1)(c1cnccc1C)[C@H](CCCc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LONP1 P36776 1/20 0.33
TGFBR1 P36897 1/20 0.32
REN P00797 1/20 0.31
PKM P14618 1/20 0.30
MMP2 P08253 2/20 0.30
MMP3 P08254 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6982855 0.77 TGFBR1 (0.31) LONP1TGFBR1
SCHEMBL7478743 0.73 MMP2 (0.39) RENMMP2MMP3
SCHEMBL6983469 0.70 PPARG (0.33) TGFBR1MMP2
SCHEMBL6982036 0.70 BMP1 (0.32) TGFBR1MMP2
SCHEMBL7928682 0.69 EPHX2 (0.35) REN
SCHEMBL4290067 0.69 MMP2 (0.41) MMP2MMP3
SCHEMBL6984617 0.68 MMP2 (0.33) RENMMP2MMP3
SCHEMBL6980503 0.68 TGFBR1 (0.35) TGFBR1
SCHEMBL6988228 0.67 TGFBR1 (0.30) TGFBR1
SCHEMBL6942324 0.67 CREBBP (0.31) TGFBR1MMP2MMP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US disclosed